Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XII' and Ligand = 'BDBM23548'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor XII (Homo sapiens (Human))	BDBM23548 (3-Carboxamide-coumarin deriv., 44 | 8-bromo-6-chlo...) Show SMILES Clc1cc(Br)c2oc(=O)c(cc2c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C16H9BrClNO3/c17-13-8-10(18)6-9-7-12(16(21)22-14(9)13)15(20)19-11-4-2-1-3-5-11/h1-8H,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	7.9	22
University of Namur					Assay Description After substrate hydrolysis reaction, the absorbance at 405 nm was measured in a microplate reader. Percentages of inhibition at each concentration we...				J Med Chem 51: 3077-80 (2008) Article DOI: 10.1021/jm8002697 BindingDB Entry DOI: 10.7270/Q2610XNH
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM23548 (3-Carboxamide-coumarin deriv., 44 | 8-bromo-6-chlo...) Show SMILES Clc1cc(Br)c2oc(=O)c(cc2c1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C16H9BrClNO3/c17-13-8-10(18)6-9-7-12(16(21)22-14(9)13)15(20)19-11-4-2-1-3-5-11/h1-8H,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Namur Curated by ChEMBL					Assay Description Inhibition of human factor 12a using S-2302 as substrate assessed as para-nitroaniline release preincubated for 10 mins followed by substrate additio...				Eur J Med Chem 110: 181-94 (2016) Article DOI: 10.1016/j.ejmech.2016.01.023 BindingDB Entry DOI: 10.7270/Q29G5PNX
					More data for this Ligand-Target Pair